Current position:Home >Product >

5-[[1-[[1-[[1-[[1-[[1-[[6-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[2-[[2-[2-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxi

Systemtic Name:	5-[[1-[[1-[[1-[[1-[[1-[[6-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[2-[[2-[2-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxi
Openeye Name:	5-[[1-[[2-[[2-[[2-[[2-[[5-amino-1-[(1-carboxy-4-guanidino-butyl)carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-methyl-butyl]amino]-4-[[2-[[2-[[2-[[1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid
CAS Name:	5-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[[2-[[[1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid
IUPAC Name:	5-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[[2-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid
Traditional Name:	5-[[1-[[2-[[2-[[2-[[2-[[5-amino-1-[(1-carboxy-4-guanidino-butyl)carbamoyl]pentyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-methyl-butyl]amino]-4-[[5-hydroxy-2-[[3-hydroxy-2-[[2-[(1-phenylalanylprolyl)amino]acetyl]amino]propanoyl]amino]-5-keto-pentanoyl]amino]-5-keto-valeric acid
Formula:	C₅₉H₉₅N₁₇O₂₂S
MolecularWeight:	1426.5513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C59H95N17O22S/c1-3-30(2)46(56(95)74-41(29-99)54(93)73-40(28-80)53(92)72-39(27-79)52(91)71-38(26-78)51(90)67-33(13-7-8-20-60)47(86)70-36(58(97)98)14-9-21-64-59(62)63)75-49(88)35(17-19-45(84)85)68-48(87)34(16-18-44(82)83)69-50(89)37(25-77)66-43(81)24-65-55(94)42-15-10-22-76(42)57(96)32(61)23-31-11-5-4-6-12-31/h4-6,11-12,30,32-42,46,77-80,99H,3,7-10,13-29,60-61H2,1-2H3,(H,65,94)(H,66,81)(H,67,90)(H,68,87)(H,69,89)(H,70,86)(H,71,91)(H,72,92)(H,73,93)(H,74,95)(H,75,88)(H,82,83)(H,84,85)(H,97,98)(H4,62,63,64)

Other Product