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5-[[1-[[1-[[6-azanyl-1-[[6-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

5-[[1-[[1-[[6-azanyl-1-[[6-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:5-[[1-[[1-[[6-azanyl-1-[[6-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:5-[[2-[[1-[[5-amino-1-[[5-amino-1-[[4-guanidino-1-[[2-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoic acid
CAS Name:5-[[1-[[1-[[6-amino-1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-methyl-1-oxopentyl]amino]-5-oxopentanoic acid
IUPAC Name:5-[[1-[[1-[[6-amino-1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
Traditional Name:5-[[2-[[1-[[5-amino-1-[[5-amino-1-[[4-guanidino-1-[[1-(4-hydroxybenzyl)-2-[(2-hydroxy-2-keto-1-methylol-ethyl)amino]-2-keto-ethyl]carbamoyl]butyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-pentanoyl]amino]-5-keto-valeric acid
Formula: C61H97N19O16
MolecularWeight: 1352.54058
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CO)N


Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CO)N


InChI

InChI=1S/C61H97N19O16/c1-3-33(2)49(80-50(86)38(64)31-81)58(94)76-44(22-23-48(84)85)55(91)78-46(29-35-30-71-39-13-5-4-12-37(35)39)57(93)75-42(16-10-26-69-60(65)66)53(89)73-40(14-6-8-24-62)51(87)72-41(15-7-9-25-63)52(88)74-43(17-11-27-70-61(67)68)54(90)77-45(28-34-18-20-36(83)21-19-34)56(92)79-47(32-82)59(95)96/h4-5,12-13,18-21,30,33,38,40-47,49,71,81-83H,3,6-11,14-17,22-29,31-32,62-64H2,1-2H3,(H,72,87)(H,73,89)(H,74,88)(H,75,93)(H,76,94)(H,77,90)(H,78,91)(H,79,92)(H,80,86)(H,84,85)(H,95,96)(H4,65,66,69)(H4,67,68,70)


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