(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-naphthalen-2-yl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(2-naphthalenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-naphthalen-2-ylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propionic acid Formula: C40H39N5O5 MolecularWeight: 669.76816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC6=CC=CC=C6C=C5)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC6=CC=CC=C6C=C5)C(=O)O)N

InChI

InChI=1S/C40H39N5O5/c1-24(41)37(46)43-34(20-25-14-16-27-8-2-4-10-29(27)18-25)38(47)44-35(22-31-23-42-33-13-7-6-12-32(31)33)39(48)45-36(40(49)50)21-26-15-17-28-9-3-5-11-30(28)19-26/h2-19,23-24,34-36,42H,20-22,41H2,1H3,(H,43,46)(H,44,47)(H,45,48)(H,49,50)/t24-,34+,35-,36-/m0/s1