(2S)-1-[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]proline Formula: C31H38N6O7 MolecularWeight: 606.66942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=CC=C4)N)O

InChI

InChI=1S/C31H38N6O7/c1-18(38)27(30(42)37-13-7-12-25(37)31(43)44)36-26(39)17-34-29(41)24(15-20-16-33-23-11-6-5-10-21(20)23)35-28(40)22(32)14-19-8-3-2-4-9-19/h2-6,8-11,16,18,22,24-25,27,33,38H,7,12-15,17,32H2,1H3,(H,34,41)(H,35,40)(H,36,39)(H,43,44)/t18-,22+,24+,25+,27+/m1/s1