2-[[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[amino(nitramido)methylene]amino]pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[[amino(nitramido)methylidene]amino]-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-6-[(2-chlorobenzyl)oxycarbonylamino]hexanoyl]prolyl]amino]-5-[[amino(nitramido)methylene]amino]pentanoyl]amino]acetic acid Formula: C31H47ClN10O11 MolecularWeight: 771.21828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)NCC(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)NCC(=O)O)N)O

InChI

InChI=1S/C31H47ClN10O11/c1-18(43)25(33)28(48)39-22(10-4-5-13-36-31(50)53-17-19-8-2-3-9-20(19)32)29(49)41-15-7-12-23(41)27(47)38-21(26(46)37-16-24(44)45)11-6-14-35-30(34)40-42(51)52/h2-3,8-9,18,21-23,25,43H,4-7,10-17,33H2,1H3,(H,36,50)(H,37,46)(H,38,47)(H,39,48)(H,44,45)(H3,34,35,40)/t18-,21+,22+,23+,25+/m1/s1