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(phenylmethyl) (2S)-1-[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[[(2S)-1-[(2R)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylate

(phenylmethyl) (2S)-1-[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[[(2S)-1-[(2R)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name:(phenylmethyl) (2S)-1-[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[[(2S)-1-[(2R)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylate
Openeye Name:benzyl (2S)-1-[(2S)-5-[[amino(nitramido)methylene]amino]-2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
CAS Name:(2S)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[[[(2S)-1-[(2R)-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC Name:benzyl (2S)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[[(2S)-1-[(2R)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
Traditional Name:(2S)-1-[(2S)-5-[[amino(nitramido)methylene]amino]-2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-6-[(2-chlorobenzyl)oxycarbonylamino]hexanoyl]prolyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester
Formula: C42H58ClN9O11
MolecularWeight: 900.41662
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4


Isomeric SMILES

CC(C)(C)OC(=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)N3CCC[C@H]3C(=O)OCC4=CC=CC=C4


InChI

InChI=1S/C42H58ClN9O11/c1-42(2,3)63-41(58)48-32(18-9-10-22-46-40(57)62-27-29-16-7-8-17-30(29)43)37(55)50-24-12-20-33(50)35(53)47-31(19-11-23-45-39(44)49-52(59)60)36(54)51-25-13-21-34(51)38(56)61-26-28-14-5-4-6-15-28/h4-8,14-17,31-34H,9-13,18-27H2,1-3H3,(H,46,57)(H,47,53)(H,48,58)(H3,44,45,49)/t31-,32+,33-,34-/m0/s1


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