(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-N-[(1S)-2-[[(1S)-1-formyl-2-(1H-indol-3-yl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-phenyl-propanamide CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-phenylpropanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-phenylpropanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]propanoyl]amino]-N-[(1S)-2-[[(1S)-1-formyl-2-(1H-indol-3-yl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-phenyl-propionamide Formula: C43H48N10O6S MolecularWeight: 832.96962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C=O)NC(=O)C(CS)NC(=O)C(CC6=CN=CN6)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C43H48N10O6S/c1-25(49-43(59)38(23-60)53-40(56)33(44)18-29-21-45-24-48-29)39(55)51-36(15-26-9-3-2-4-10-26)42(58)52-37(17-28-20-47-35-14-8-6-12-32(28)35)41(57)50-30(22-54)16-27-19-46-34-13-7-5-11-31(27)34/h2-14,19-22,24-25,30,33,36-38,46-47,60H,15-18,23,44H2,1H3,(H,45,48)(H,49,59)(H,50,57)(H,51,55)(H,52,58)(H,53,56)/t25-,30-,33-,36-,37-,38-/m0/s1