(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-(methylthio)butanoyl]amino]-3-methyl-butanoyl]amino]-4-(methylthio)butyric acid Formula: C34H54N8O7S2 MolecularWeight: 750.97196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCSC)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C34H54N8O7S2/c1-20(2)29(33(47)41-27(34(48)49)13-16-51-4)42-32(46)26(12-15-50-3)39-28(43)19-38-31(45)25(11-7-8-14-35)40-30(44)23(36)17-21-18-37-24-10-6-5-9-22(21)24/h5-6,9-10,18,20,23,25-27,29,37H,7-8,11-17,19,35-36H2,1-4H3,(H,38,45)(H,39,43)(H,40,44)(H,41,47)(H,42,46)(H,48,49)/t23-,25-,26-,27-,29-/m0/s1