(phenylmethyl) N-[3-[4-[[(2S)-4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]butylamino]-3-oxidanylidene-propyl]-N-(3-azidopropyl)carbamate

Systemtic Name: (phenylmethyl) N-[3-[4-[[(2S)-4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]butylamino]-3-oxidanylidene-propyl]-N-(3-azidopropyl)carbamate Openeye Name: benzyl N-[3-[4-[[(2S)-4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]butylamino]-3-oxo-propyl]-N-(3-azidopropyl)carbamate CAS Name: N-[3-[4-[[(2S)-4-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]amino]butylamino]-3-oxopropyl]-N-(3-azidopropyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[4-[[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]butylamino]-3-oxopropyl]-N-(3-azidopropyl)carbamate Traditional Name: N-[3-[4-[[(2S)-4-amino-2-(tert-butoxycarbonylamino)-4-keto-butanoyl]amino]butylamino]-3-keto-propyl]-N-(3-azidopropyl)carbamic acid benzyl ester Formula: C27H42N8O7 MolecularWeight: 590.67178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)NCCCCNC(=O)CCN(CCCN=[N+]=[N-])C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCNC(=O)CCN(CCCN=[N+]=[N-])C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H42N8O7/c1-27(2,3)42-25(39)33-21(18-22(28)36)24(38)31-14-8-7-13-30-23(37)12-17-35(16-9-15-32-34-29)26(40)41-19-20-10-5-4-6-11-20/h4-6,10-11,21H,7-9,12-19H2,1-3H3,(H2,28,36)(H,30,37)(H,31,38)(H,33,39)/t21-/m0/s1