2-[(4S)-4-[[2-[[(2R)-2-azanyl-4-methyl-pentyl]disulfanyl]-3-phenyl-propanoyl]amino]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4S)-4-[[2-[[(2R)-2-azanyl-4-methyl-pentyl]disulfanyl]-3-phenyl-propanoyl]amino]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methyl-pentanoic acid Openeye Name: 2-[(4S)-4-[[2-[[(2R)-2-amino-4-methyl-pentyl]disulfanyl]-3-phenyl-propanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methyl-pentanoic acid CAS Name: 2-[(4S)-4-[[2-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-1-oxo-3-phenylpropyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methylpentanoic acid IUPAC Name: 2-[(4S)-4-[[2-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-3-phenylpropanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methylpentanoic acid Traditional Name: 2-[(4S)-4-[[2-[[(2R)-2-amino-4-methyl-pentyl]disulfanyl]-3-phenyl-propanoyl]amino]-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methyl-valeric acid Formula: C31H43N3O4S2 MolecularWeight: 585.82082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSSC(CC1=CC=CC=C1)C(=O)NC2CC3=CC=CC=C3CN(C2=O)C(CC(C)C)C(=O)O)N

Isomeric SMILES

CC(C)C[C@H](CSSC(CC1=CC=CC=C1)C(=O)N[C@H]2CC3=CC=CC=C3CN(C2=O)C(CC(C)C)C(=O)O)N

InChI

InChI=1S/C31H43N3O4S2/c1-20(2)14-25(32)19-39-40-28(16-22-10-6-5-7-11-22)29(35)33-26-17-23-12-8-9-13-24(23)18-34(30(26)36)27(31(37)38)15-21(3)4/h5-13,20-21,25-28H,14-19,32H2,1-4H3,(H,33,35)(H,37,38)/t25-,26+,27?,28?/m1/s1