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2-[[4-azanyl-2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]butanedioic acid

Systemtic Name:	2-[[4-azanyl-2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]butanedioic acid
Openeye Name:	2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]butanedioic acid
CAS Name:	2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]butanedioic acid
IUPAC Name:	2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
Traditional Name:	2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]succinic acid
Formula:	C₅₉H₈₅N₁₃O₂₃S
MolecularWeight:	1376.4445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CS)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CS)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)N

InChI

InChI=1S/C59H85N13O23S/c1-26(2)18-35(52(87)69-39(22-44(61)77)55(90)71-41(59(94)95)24-47(82)83)65-50(85)33(14-16-43(60)76)63-49(84)34(15-17-45(78)79)64-53(88)37(20-29-6-10-31(74)11-7-29)68-57(92)42(25-96)72-54(89)38(21-30-8-12-32(75)13-9-30)67-51(86)36(19-27(3)4)66-56(91)40(23-46(80)81)70-58(93)48(62)28(5)73/h6-13,26-28,33-42,48,73-75,96H,14-25,62H2,1-5H3,(H2,60,76)(H2,61,77)(H,63,84)(H,64,88)(H,65,85)(H,66,91)(H,67,86)(H,68,92)(H,69,87)(H,70,93)(H,71,90)(H,72,89)(H,78,79)(H,80,81)(H,82,83)(H,94,95)

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