(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-N-[2-[(2S)-2-[(2S)-2-[[(2R)-1-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]pentanediamide

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-N-[2-[(2S)-2-[(2S)-2-[[(2R)-1-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]pentanediamide Openeye Name: (2S)-N-[2-[(2S)-2-[(2S)-2-[[(1R)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-ethyl]-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-N-[2-[(2S)-2-[[(2S)-2-[[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]pentanediamide IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-N-[2-[(2S)-2-[(2S)-2-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pentanediamide Traditional Name: (2S)-N-[2-[(2S)-2-[(2S)-2-[[(1R)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidino]-2-keto-ethyl]-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]glutaramide Formula: C37H59N13O9S MolecularWeight: 862.01106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)N)C(=O)N4CCCC4C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CN=CN3)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N

InChI

InChI=1S/C37H59N13O9S/c38-12-2-1-6-23(31(41)53)45-33(55)25(19-60)47-35(57)27-8-4-15-50(27)37(59)28-9-5-13-48(28)30(52)18-43-32(54)24(10-11-29(40)51)46-34(56)26-7-3-14-49(26)36(58)22(39)16-21-17-42-20-44-21/h17,20,22-28,60H,1-16,18-19,38-39H2,(H2,40,51)(H2,41,53)(H,42,44)(H,43,54)(H,45,55)(H,46,56)(H,47,57)/t22-,23-,24-,25-,26-,27-,28-/m0/s1