(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid; (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]butanediamide

Systemtic Name: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid; (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]butanediamide Openeye Name: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoic acid; (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(sulfanylmethyl)ethyl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanediamide CAS Name: (2R)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercaptopropanoic acid; (2S)-N-[(2R)-1-[(2S)-2-[[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-mercapto-1-oxopropan-2-yl]-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]butanediamide IUPAC Name: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid; (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanediamide Traditional Name: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-3-mercapto-propionic acid; (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidino]-2-keto-1-(mercaptomethyl)ethyl]-2-[[(2S)-5-ketoprolyl]amino]succinamide Formula: C45H74N20O13S2 MolecularWeight: 1167.32526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CS)C(=O)O.C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C2CCC(=O)N2)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CS)C(=O)O.C1C[C@H](N(C1)C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N

InChI

InChI=1S/C25H41N11O8S.C20H33N9O5S/c26-17(37)9-14(34-21(41)13-5-6-19(39)32-13)22(42)35-15(11-45)24(44)36-8-2-4-16(36)23(43)33-12(3-1-7-30-25(28)29)20(40)31-10-18(27)38;21-12(3-1-5-25-20(22)23)16(30)27-13(7-11-8-24-10-26-11)18(32)29-6-2-4-15(29)17(31)28-14(9-35)19(33)34/h12-16,45H,1-11H2,(H2,26,37)(H2,27,38)(H,31,40)(H,32,39)(H,33,43)(H,34,41)(H,35,42)(H4,28,29,30);8,10,12-15,35H,1-7,9,21H2,(H,24,26)(H,27,30)(H,28,31)(H,33,34)(H4,22,23,25)/t12-,13-,14-,15-,16-;12-,13-,14-,15-/m00/s1