(2S)-N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1R)-1-[[(1S)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-4-guanidino-butyl]-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2R)-1-[[(2S)-1-amino-3-mercapto-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1R)-1-[[(1S)-2-amino-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-4-guanidino-butyl]-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C23H36N8O4S MolecularWeight: 520.64814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CS)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CS)C(=O)N

InChI

InChI=1S/C23H36N8O4S/c24-15(12-14-6-2-1-3-7-14)22(35)31-11-5-9-18(31)21(34)29-16(8-4-10-28-23(26)27)20(33)30-17(13-36)19(25)32/h1-3,6-7,15-18,36H,4-5,8-13,24H2,(H2,25,32)(H,29,34)(H,30,33)(H4,26,27,28)/t15-,16-,17-,18+/m1/s1