(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylmethoxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-(phenylmethyl)amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylmethoxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-(phenylmethyl)amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-benzyloxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-benzyl-amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylmethoxypropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-benzylamino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-benzoxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-benzyl-amino]propionic acid Formula: C37H41N7O6 MolecularWeight: 679.76474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=CC=C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(COCC4=CC=CC=C4)NC(=O)C(CC5=CN=CN5)N

Isomeric SMILES

C[C@@H](C(=O)O)N(CC1=CC=CC=C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](COCC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)N

InChI

InChI=1S/C37H41N7O6/c1-24(37(48)49)44(20-25-10-4-2-5-11-25)36(47)32(16-27-18-40-31-15-9-8-14-29(27)31)42-35(46)33(22-50-21-26-12-6-3-7-13-26)43-34(45)30(38)17-28-19-39-23-41-28/h2-15,18-19,23-24,30,32-33,40H,16-17,20-22,38H2,1H3,(H,39,41)(H,42,46)(H,43,45)(H,48,49)/t24-,30-,32-,33-/m0/s1