(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate hydrochloride Openeye Name: benzyl N-[(1S)-2-[[(1S)-1-[[(1S)-2-[4-(2-amino-2-oxo-ethyl)anilino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]carbamate hydrochloride CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[4-(2-amino-2-oxoethyl)anilino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[4-(2-amino-2-oxoethyl)anilino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate hydrochloride Traditional Name: N-[(1S)-2-[[(1S)-1-[[(1S)-2-[4-(2-amino-2-keto-ethyl)anilino]-2-keto-1-methyl-ethyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester hydrochloride Formula: C28H39ClN8O6 MolecularWeight: 619.11226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C28H38N8O6.ClH/c1-17(24(38)35-21-12-10-19(11-13-21)15-23(29)37)33-26(40)22(9-6-14-32-27(30)31)36-25(39)18(2)34-28(41)42-16-20-7-4-3-5-8-20;/h3-5,7-8,10-13,17-18,22H,6,9,14-16H2,1-2H3,(H2,29,37)(H,33,40)(H,34,41)(H,35,38)(H,36,39)(H4,30,31,32);1H/t17-,18-,22-;/m0./s1