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2-[[1-[2-[[4-azanyl-2-[[2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[1-[5-azanyl-2-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid

Systemtic Name:	2-[[1-[2-[[4-azanyl-2-[[2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[1-[5-azanyl-2-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid
Openeye Name:	2-[[1-[2-[[4-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[1-[5-amino-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid
CAS Name:	2-[[[1-[2-[[4-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[[1-[5-amino-2-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxoethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid
IUPAC Name:	2-[[1-[2-[[4-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[1-[5-amino-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Traditional Name:	2-[[1-[2-[[4-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[1-[5-amino-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-5-keto-pentanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-3-methyl-valeric acid
Formula:	C₆₈H₁₁₈N₁₈O₁₉
MolecularWeight:	1491.77372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCCCN)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCCCN)N

InChI

InChI=1S/C68H118N18O19/c1-13-38(12)55(68(104)105)84-62(98)47-20-17-27-86(47)67(103)44(29-34(4)5)79-59(95)43(30-50(73)90)78-64(100)53(36(8)9)83-65(101)54(37(10)11)81-57(93)40(21-23-48(71)88)76-58(94)42(28-33(2)3)77-63(99)52(35(6)7)82-60(96)45(32-87)80-61(97)46-19-16-26-85(46)66(102)41(22-24-49(72)89)75-51(91)31-74-56(92)39(70)18-14-15-25-69/h33-47,52-55,87H,13-32,69-70H2,1-12H3,(H2,71,88)(H2,72,89)(H2,73,90)(H,74,92)(H,75,91)(H,76,94)(H,77,99)(H,78,100)(H,79,95)(H,80,97)(H,81,93)(H,82,96)(H,83,101)(H,84,98)(H,104,105)

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