tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-1-formyl-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamate CAS Name: N-[(2R)-1-[(2S)-2-[[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-1-formyl-4-guanidino-butyl]carbamoyl]pyrrolidino]ethyl]carbamic acid tert-butyl ester Formula: C25H40N6O4 MolecularWeight: 488.6229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CN2CCCC2C(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CN2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C=O

InChI

InChI=1S/C25H40N6O4/c1-25(2,3)35-24(34)30-20(15-18-9-5-4-6-10-18)16-31-14-8-12-21(31)22(33)29-19(17-32)11-7-13-28-23(26)27/h4-6,9-10,17,19-21H,7-8,11-16H2,1-3H3,(H,29,33)(H,30,34)(H4,26,27,28)/t19-,20+,21-/m0/s1