(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-azanyl-5-methyl-hexanoyl]amino]-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-(1H-indol-3-yl)butanoyl]amino]-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-phenyl-butanoyl]amino]hexanedioic acid

Systemtic Name: (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-azanyl-5-methyl-hexanoyl]amino]-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-(1H-indol-3-yl)butanoyl]amino]-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-phenyl-butanoyl]amino]hexanedioic acid Openeye Name: (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-5-methyl-hexanoyl]amino]-6-hydroxy-6-oxo-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-(1H-indol-3-yl)butanoyl]amino]-6-hydroxy-6-oxo-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-phenyl-butanoyl]amino]hexanedioic acid CAS Name: (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-5-methyl-1-oxohexyl]amino]-6-hydroxy-1,6-dioxohexyl]amino]-5-methyl-1-oxohexyl]amino]-4-(1H-indol-3-yl)-1-oxobutyl]amino]-6-hydroxy-1,6-dioxohexyl]amino]-5-methyl-1-oxohexyl]amino]-1-oxo-4-phenylbutyl]amino]hexanedioic acid IUPAC Name: (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-5-methylhexanoyl]amino]-6-hydroxy-6-oxohexanoyl]amino]-5-methylhexanoyl]amino]-4-(1H-indol-3-yl)butanoyl]amino]-6-hydroxy-6-oxohexanoyl]amino]-5-methylhexanoyl]amino]-4-phenylbutanoyl]amino]hexanedioic acid Traditional Name: (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-5-methyl-hexanoyl]amino]-6-hydroxy-6-keto-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-(1H-indol-3-yl)butanoyl]amino]-6-hydroxy-6-keto-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-phenyl-butanoyl]amino]adipic acid Formula: C61H91N9O15 MolecularWeight: 1190.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NC(CCC(=O)O)CC(=O)NC(CC(C)C)CC(=O)NC(CC1=CNC2=CC=CC=C21)CC(=O)NC(CCC(=O)O)CC(=O)NC(CC(C)C)CC(=O)NC(CC3=CC=CC=C3)CC(=O)NC(CCC(=O)O)CC(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](CC(C)C)CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)CC(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](CC(C)C)CC(=O)N[C@@H](CC3=CC=CC=C3)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)N

InChI

InChI=1S/C61H91N9O15/c1-36(2)22-41(62)27-51(71)64-42(16-19-58(78)79)28-52(72)68-46(24-38(5)6)31-57(77)70-48(26-40-35-63-50-15-11-10-14-49(40)50)33-55(75)65-43(17-20-59(80)81)29-53(73)67-45(23-37(3)4)30-56(76)69-47(25-39-12-8-7-9-13-39)32-54(74)66-44(34-61(84)85)18-21-60(82)83/h7-15,35-38,41-48,63H,16-34,62H2,1-6H3,(H,64,71)(H,65,75)(H,66,74)(H,67,73)(H,68,72)(H,69,76)(H,70,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1