(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-N-[2-[(2S)-2-[(2S)-2-[[(2R)-1-azanyl-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-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-N-[2-[(2S)-2-[(2S)-2-[[(2R)-1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]pentanediamide Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-N-[2-[(2S)-2-[(2S)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-ethyl]pentanediamide CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2R)-2-acetamido-3-mercapto-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-N-[2-[(2S)-2-[[(2S)-2-[[[(2R)-1-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-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-N-[2-[(2S)-2-[(2S)-2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pentanediamide Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-acetamido-3-mercapto-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-N-[2-[(2S)-2-[(2S)-2-[[(1R)-2-amino-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidino]-2-keto-ethyl]glutaramide Formula: C36H54N12O10S2 MolecularWeight: 879.01836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NCC(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(CS)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N

InChI

InChI=1S/C36H54N12O10S2/c1-19(49)42-24(17-60)32(54)44-22(13-20-14-39-18-41-20)35(57)47-11-2-5-25(47)33(55)43-21(8-9-28(37)50)31(53)40-15-29(51)46-10-4-7-27(46)36(58)48-12-3-6-26(48)34(56)45-23(16-59)30(38)52/h14,18,21-27,59-60H,2-13,15-17H2,1H3,(H2,37,50)(H2,38,52)(H,39,41)(H,40,53)(H,42,49)(H,43,55)(H,44,54)(H,45,56)/t21-,22-,23-,24-,25-,26-,27-/m0/s1