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4-[[1-[[4-azanyl-1-[[1-[[2-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[[5-azanyl-2-[[2-(2-azanylpropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name:	4-[[1-[[4-azanyl-1-[[1-[[2-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[[5-azanyl-2-[[2-(2-azanylpropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid
Openeye Name:	4-[[1-[[3-amino-1-[[2-[[2-[[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]amino]-3-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoic acid
CAS Name:	4-[[1-[[4-amino-1-[[1-[[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[5-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-oxobutanoic acid
IUPAC Name:	4-[[1-[[4-amino-1-[[1-[[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
Traditional Name:	3-[[2-[[2-(alanylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-4-[[1-[[3-amino-1-[[2-[[2-[[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-methyl-butyl]amino]-4-keto-butyric acid
Formula:	C₄₉H₆₆N₁₄O₁₃
MolecularWeight:	1059.13434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)N

InChI

InChI=1S/C49H66N14O13/c1-23(2)15-34(47(74)62-36(18-39(52)65)46(73)57-25(4)44(71)56-22-40(66)58-33(42(53)69)16-26-20-54-30-11-7-5-9-28(26)30)61-49(76)37(19-41(67)68)63-45(72)32(13-14-38(51)64)59-48(75)35(60-43(70)24(3)50)17-27-21-55-31-12-8-6-10-29(27)31/h5-12,20-21,23-25,32-37,54-55H,13-19,22,50H2,1-4H3,(H2,51,64)(H2,52,65)(H2,53,69)(H,56,71)(H,57,73)(H,58,66)(H,59,75)(H,60,70)(H,61,76)(H,62,74)(H,63,72)(H,67,68)

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