(2S)-3-[[(2S,5R)-5-[(1S)-4-[bis(azanyl)methylideneamino]-1-(phenylmethoxycarbonylamino)butyl]oxolan-2-yl]carbonylamino]-2-(butylsulfonylamino)propanoic acid

Systemtic Name: (2S)-3-[[(2S,5R)-5-[(1S)-4-[bis(azanyl)methylideneamino]-1-(phenylmethoxycarbonylamino)butyl]oxolan-2-yl]carbonylamino]-2-(butylsulfonylamino)propanoic acid Openeye Name: (2S)-3-[[(2S,5R)-5-[(1S)-1-(benzyloxycarbonylamino)-4-guanidino-butyl]tetrahydrofuran-2-carbonyl]amino]-2-(butylsulfonylamino)propanoic acid CAS Name: (2S)-2-(butylsulfonylamino)-3-[[[(2S,5R)-5-[(1S)-4-(diaminomethylideneamino)-1-(phenylmethoxycarbonylamino)butyl]-2-oxolanyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[[(2S,5R)-5-[(1S)-4-(diaminomethylideneamino)-1-(phenylmethoxycarbonylamino)butyl]oxolane-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-[[(2S,5R)-5-[(1S)-1-(benzyloxycarbonylamino)-4-guanidino-butyl]tetrahydrofuran-2-carbonyl]amino]-2-(butylsulfonylamino)propionic acid Formula: C25H40N6O8S MolecularWeight: 584.6855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)C1CCC(O1)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CNC(=O)[C@@H]1CC[C@@H](O1)[C@H](CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H40N6O8S/c1-2-3-14-40(36,37)31-19(23(33)34)15-29-22(32)21-12-11-20(39-21)18(10-7-13-28-24(26)27)30-25(35)38-16-17-8-5-4-6-9-17/h4-6,8-9,18-21,31H,2-3,7,10-16H2,1H3,(H,29,32)(H,30,35)(H,33,34)(H4,26,27,28)/t18-,19-,20+,21-/m0/s1