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2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name:	2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid
Openeye Name:	2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid
CAS Name:	2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylpentanoic acid
IUPAC Name:	2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
Traditional Name:	2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-(alanylamino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]prolyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-valeric acid
Formula:	C₆₆H₁₁₅N₁₇O₂₀S
MolecularWeight:	1498.7862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)C(C)N

InChI

InChI=1S/C66H115N17O20S/c1-15-33(8)49(63(100)82-51(65(102)103)35(10)17-3)80-57(94)41(23-25-46(87)88)74-56(93)40(22-24-45(85)86)76-59(96)44-21-19-28-83(44)64(101)38(13)72-54(91)42(26-29-104-14)75-55(92)39(20-18-27-70-66(68)69)73-53(90)37(12)71-58(95)43(30-84)77-60(97)47(31(4)5)79-62(99)50(34(9)16-2)81-61(98)48(32(6)7)78-52(89)36(11)67/h31-44,47-51,84H,15-30,67H2,1-14H3,(H,71,95)(H,72,91)(H,73,90)(H,74,93)(H,75,92)(H,76,96)(H,77,97)(H,78,89)(H,79,99)(H,80,94)(H,81,98)(H,82,100)(H,85,86)(H,87,88)(H,102,103)(H4,68,69,70)

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