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5-[[1-[[4-azanyl-1-[[5-azanyl-1-[[1-[[1-[[1-[[6-azanyl-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]a

Systemtic Name:	5-[[1-[[4-azanyl-1-[[5-azanyl-1-[[1-[[1-[[1-[[6-azanyl-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]a
Openeye Name:	5-[[2-[[3-amino-1-[[4-amino-1-[[1-[[2-[[1-[[5-amino-1-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid
CAS Name:	5-[[1-[[4-amino-1-[[5-amino-1-[[1-[[1-[[1-[[6-amino-1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-oxopentanoic acid
IUPAC Name:	5-[[1-[[4-amino-1-[[5-amino-1-[[1-[[1-[[1-[[6-amino-1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-oxopentanoic acid
Traditional Name:	5-[[2-[[3-amino-1-[[4-amino-1-[[1-[[2-[[1-[[5-amino-1-[[1-carboxy-3-(methylthio)propyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-keto-propyl]amino]-2-keto-1-methyl-ethyl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid
Formula:	C₆₁H₁₀₈N₂₂O₂₂S
MolecularWeight:	1533.70942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)N

InChI

InChI=1S/C61H108N22O22S/c1-8-27(2)45(82-53(98)34(15-12-23-71-61(68)69)77-56(101)44(65)30(5)84)57(102)81-39(26-43(90)91)55(100)76-36(17-19-42(88)89)50(95)72-28(3)47(92)80-38(25-41(64)87)54(99)75-35(16-18-40(63)86)52(97)74-33(14-11-22-70-60(66)67)49(94)73-29(4)48(93)83-46(31(6)85)58(103)78-32(13-9-10-21-62)51(96)79-37(59(104)105)20-24-106-7/h27-39,44-46,84-85H,8-26,62,65H2,1-7H3,(H2,63,86)(H2,64,87)(H,72,95)(H,73,94)(H,74,97)(H,75,99)(H,76,100)(H,77,101)(H,78,103)(H,79,96)(H,80,92)(H,81,102)(H,82,98)(H,83,93)(H,88,89)(H,90,91)(H,104,105)(H4,66,67,70)(H4,68,69,71)

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