5-[[(2S)-1-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanyl-benzoic acid dihydrochloride

Systemtic Name: 5-[[(2S)-1-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanyl-benzoic acid dihydrochloride Openeye Name: 5-[[(1S)-1-[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]carbamoyl]-4-guanidino-butyl]amino]-2-hydroxy-benzoic acid dihydrochloride CAS Name: 5-[[(2S)-1-[[[(2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-hydroxybenzoic acid dihydrochloride IUPAC Name: 5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-hydroxybenzoic acid dihydrochloride Traditional Name: 5-[[(1S)-1-[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]prolyl]carbamoyl]-4-guanidino-butyl]amino]-2-hydroxy-benzoic acid dihydrochloride Formula: C27H37Cl2N7O6 MolecularWeight: 626.53198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC(=O)C(CCCN=C(N)N)NC3=CC(=C(C=C3)O)C(=O)O.Cl.Cl

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)NC(=O)[C@H](CCCN=C(N)N)NC3=CC(=C(C=C3)O)C(=O)O.Cl.Cl

InChI

InChI=1S/C27H35N7O6.2ClH/c28-19(14-16-6-2-1-3-7-16)25(38)34-13-5-9-21(34)24(37)33-23(36)20(8-4-12-31-27(29)30)32-17-10-11-22(35)18(15-17)26(39)40;;/h1-3,6-7,10-11,15,19-21,32,35H,4-5,8-9,12-14,28H2,(H,39,40)(H4,29,30,31)(H,33,36,37);2*1H/t19-,20+,21+;;/m1../s1