2-[[2,6-dimethyl-4-[4-oxidanylidene-4-[3-[2-[2-[3-[[3-(4-phosphonooxyphenyl)-2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]butoxy]phenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]propanoic acid
2-[[2,6-dimethyl-4-[4-oxidanylidene-4-[3-[2-[2-[3-[[3-(4-phosphonooxyphenyl)-2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]butoxy]phenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]propanoic acid
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Canonical SMILES:
CC1=CC(=CC(=C1S(=O)(=O)NC(CNC(=O)C2=CN(C3=C(C2=O)C=CC(=C3)CNC4=NC=CN4)C)C(=O)O)C)OCCCC(=O)NCCCOCCOCCOCCCNC(=O)C(CC5=CC=C(C=C5)OP(=O)(O)O)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O
Isomeric SMILES
CC1=CC(=CC(=C1S(=O)(=O)NC(CNC(=O)C2=CN(C3=C(C2=O)C=CC(=C3)CNC4=NC=CN4)C)C(=O)O)C)OCCCC(=O)NCCCOCCOCCOCCCNC(=O)C(CC5=CC=C(C=C5)OP(=O)(O)O)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C65H92N13O23PS/c1-44-33-49(34-45(2)61(44)103(95,96)73-53(64(90)91)38-70-62(88)51-39-74(3)54-36-47(10-13-50(54)60(51)87)37-71-65-68-16-17-69-65)100-28-4-7-55(79)66-14-5-26-97-29-31-99-32-30-98-27-6-15-67-63(89)52(35-46-8-11-48(12-9-46)101-102(92,93)94)72-56(80)40-75-18-20-76(41-57(81)82)22-24-78(43-59(85)86)25-23-77(21-19-75)42-58(83)84/h8-13,16-17,33-34,36,39,52-53,73H,4-7,14-15,18-32,35,37-38,40-43H2,1-3H3,(H,66,79)(H,67,89)(H,70,88)(H,72,80)(H,81,82)(H,83,84)(H,85,86)(H,90,91)(H2,68,69,71)(H2,92,93,94)
Other Product
- 2,5-bis(chloranyl)cyclohexa-2,5-diene-1,4-diol
- 2,5-bis(chloranyl)benzene-1,4-diol
- 2,5-bis(chloranyl)phenol
- 2-oxidanylidenehexanedioic acid
- 2-oxidanylidene-3-sulfanyl-propanoic acid
- 3-oxidanylbenzaldehyde
- 3-azanylpropanal
- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
- 3-oxidanylidenehexanedioic acid
- 4-[1-(dimethylaminomethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
- (1R,2R)-1-propan-2-yl-2-[(1R,2R)-1-propan-2-ylphospholan-2-yl]phospholane
- (4S)-4-azanyl-5-[[(2S)-1-[(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]hexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanyliden
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pe
- (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid
- (4S)-5-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidan
- 5,7-bis(fluoranyl)-2-(4-methoxyphenyl)-1-benzofuran
- (2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoic aci
- [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(4-chloranyl-3-nitro-phenyl)methoxy]-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
- (2S)-5-azanyl-2-[[(2S,3R)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid