(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-cyclohexyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-cyclohexyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-cyclohexyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-cyclohexyl-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-cyclohexylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-cyclohexyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Formula: C38H54N8O5 MolecularWeight: 702.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC4CCCCC4)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CC4CCCCC4)N

InChI

InChI=1S/C38H54N8O5/c1-24(43-36(49)29(40)20-25-12-4-2-5-13-25)35(48)45-32(21-26-14-6-3-7-15-26)37(50)46-33(22-27-23-42-30-17-9-8-16-28(27)30)38(51)44-31(34(41)47)18-10-11-19-39/h3,6-9,14-17,23-25,29,31-33,42H,2,4-5,10-13,18-22,39-40H2,1H3,(H2,41,47)(H,43,49)(H,44,51)(H,45,48)(H,46,50)/t24-,29+,31-,32-,33+/m0/s1