(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(naphthalen-1-ylcarbamoyl)hydrazinyl]hexanamide

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(naphthalen-1-ylcarbamoyl)hydrazinyl]hexanamide Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-1-(aminomethyl)-2-(1H-indol-3-yl)ethyl]-6-[2-(1-naphthylcarbamoyl)hydrazino]hexanamide CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)propan-2-yl]-6-[[(1-naphthalenylamino)-oxomethyl]hydrazo]hexanamide IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(naphthalen-1-ylcarbamoyl)hydrazinyl]hexanamide Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-1-(aminomethyl)-2-(1H-indol-3-yl)ethyl]-6-[N'-(1-naphthylcarbamoyl)hydrazino]hexanamide Formula: C45H53N11O5 MolecularWeight: 827.97302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCNNC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)CN

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCNNC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)CN

InChI

InChI=1S/C45H53N11O5/c1-29(57)51-41(24-34-27-47-28-49-34)44(60)54-40(22-30-12-3-2-4-13-30)43(59)53-39(42(58)52-33(25-46)23-32-26-48-37-18-8-7-17-36(32)37)19-9-10-21-50-56-45(61)55-38-20-11-15-31-14-5-6-16-35(31)38/h2-8,11-18,20,26-28,33,39-41,48,50H,9-10,19,21-25,46H2,1H3,(H,47,49)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H2,55,56,61)/t33-,39-,40+,41-/m0/s1