methyl (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-anthracen-9-ylphenyl)propanoyl]amino]-6-azanyl-hexanoyl]amino]pent-4-enoate hydrochloride

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-anthracen-9-ylphenyl)propanoyl]amino]-6-azanyl-hexanoyl]amino]pent-4-enoate hydrochloride Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[4-(9-anthryl)phenyl]propanoyl]amino]-6-amino-hexanoyl]amino]pent-4-enoate hydrochloride CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[4-(9-anthracenyl)phenyl]-1-oxopropyl]amino]-6-amino-1-oxohexyl]amino]-4-pentenoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-anthracen-9-ylphenyl)propanoyl]amino]-6-aminohexanoyl]amino]pent-4-enoate hydrochloride Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[4-(9-anthryl)phenyl]propanoyl]amino]-6-amino-hexanoyl]amino]pent-4-enoic acid methyl ester hydrochloride Formula: C37H43ClN4O5 MolecularWeight: 659.21412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC(CCCCN)C(=O)NC(CC=C)C(=O)OC.Cl

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC=C)C(=O)OC.Cl

InChI

InChI=1S/C37H42N4O5.ClH/c1-4-11-32(37(45)46-3)41-35(43)31(16-9-10-21-38)40-36(44)33(39-24(2)42)22-25-17-19-26(20-18-25)34-29-14-7-5-12-27(29)23-28-13-6-8-15-30(28)34;/h4-8,12-15,17-20,23,31-33H,1,9-11,16,21-22,38H2,2-3H3,(H,39,42)(H,40,44)(H,41,43);1H/t31-,32-,33-;/m0./s1