2-[[2-[[2-[[6-azanyl-2-[[5-azanyl-2-[2-[[6-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[6-azanyl-2-[[5-azanyl-2-[2-[[6-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[6-amino-2-[[5-amino-2-[2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]propanoylamino]-5-oxo-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[6-amino-2-[[5-amino-2-[[2-[[6-amino-2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[6-amino-2-[[5-amino-2-[2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[6-amino-2-[[5-amino-2-[2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]propanoylamino]-5-keto-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C58H93N17O11 MolecularWeight: 1204.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)N

InChI

InChI=1S/C58H93N17O11/c1-34(2)30-47(57(85)86)75-55(83)45(31-36-16-5-4-6-17-36)74-53(81)43(23-15-29-66-58(64)65)71-52(80)42(22-11-14-28-61)70-54(82)44(24-25-48(63)76)69-49(77)35(3)68-51(79)41(21-10-13-27-60)72-56(84)46(73-50(78)39(62)19-9-12-26-59)32-37-33-67-40-20-8-7-18-38(37)40/h4-8,16-18,20,33-35,39,41-47,67H,9-15,19,21-32,59-62H2,1-3H3,(H2,63,76)(H,68,79)(H,69,77)(H,70,82)(H,71,80)(H,72,84)(H,73,78)(H,74,81)(H,75,83)(H,85,86)(H4,64,65,66)