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3-[[1-[2-[[2-[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name:	3-[[1-[2-[[2-[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]butan-2-yl]amino]-4-oxidanylidene-butanoic acid
Openeye Name:	3-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-[[3-amino-1-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-oxo-propyl]amino]-4-oxo-butanoic acid
CAS Name:	3-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-[[4-amino-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name:	3-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-[[4-amino-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid
Traditional Name:	3-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-amino-4-(methylthio)butanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-mercapto-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]prolyl]amino]-4-[[3-amino-1-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-keto-propyl]amino]-4-keto-butyric acid
Formula:	C₅₂H₈₈N₁₈O₂₀S₃
MolecularWeight:	1381.55872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N

InChI

InChI=1S/C52H88N18O20S3/c1-6-22(2)38(67-45(83)28(16-34(55)74)62-41(79)25(53)11-14-93-5)49(87)69-40(24(4)72)50(88)65-30(20-91)46(84)68-39(23(3)71)48(86)59-18-35(75)61-26(9-7-12-58-52(56)57)42(80)60-19-36(76)70-13-8-10-32(70)47(85)64-29(17-37(77)78)44(82)63-27(15-33(54)73)43(81)66-31(21-92)51(89)90/h22-32,38-40,71-72,91-92H,6-21,53H2,1-5H3,(H2,54,73)(H2,55,74)(H,59,86)(H,60,80)(H,61,75)(H,62,79)(H,63,82)(H,64,85)(H,65,88)(H,66,81)(H,67,83)(H,68,84)(H,69,87)(H,77,78)(H,89,90)(H4,56,57,58)

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