(phenylmethyl) (NE)-N-[[(3S)-3-[[(2S)-1-[(2R)-2-acetamido-2-phenyl-propanoyl]azetidin-2-yl]carbonylamino]-2-oxidanylidene-piperidin-1-yl]-azanyl-methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[[(3S)-3-[[(2S)-1-[(2R)-2-acetamido-2-phenyl-propanoyl]azetidin-2-yl]carbonylamino]-2-oxidanylidene-piperidin-1-yl]-azanyl-methylidene]carbamate Openeye Name: benzyl (NE)-N-[[(3S)-3-[[(2S)-1-[(2R)-2-acetamido-2-phenyl-propanoyl]azetidine-2-carbonyl]amino]-2-oxo-1-piperidyl]-amino-methylene]carbamate CAS Name: (NE)-N-[[(3S)-3-[[[(2S)-1-[(2R)-2-acetamido-1-oxo-2-phenylpropyl]-2-azetidinyl]-oxomethyl]amino]-2-oxo-1-piperidinyl]-aminomethylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[[(3S)-3-[[(2S)-1-[(2R)-2-acetamido-2-phenylpropanoyl]azetidine-2-carbonyl]amino]-2-oxopiperidin-1-yl]-aminomethylidene]carbamate Traditional Name: (NE)-N-[[(3S)-3-[[(2S)-1-[(2R)-2-acetamido-2-phenyl-propanoyl]azetidine-2-carbonyl]amino]-2-keto-piperidino]-amino-methylene]carbamic acid benzyl ester Formula: C29H34N6O6 MolecularWeight: 562.61686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(C1=CC=CC=C1)C(=O)N2CCC2C(=O)NC3CCCN(C3=O)C(=NC(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(=O)N[C@](C)(C1=CC=CC=C1)C(=O)N2CC[C@H]2C(=O)N[C@H]3CCCN(C3=O)/C(=N/C(=O)OCC4=CC=CC=C4)/N

InChI

InChI=1S/C29H34N6O6/c1-19(36)33-29(2,21-12-7-4-8-13-21)26(39)34-17-15-23(34)24(37)31-22-14-9-16-35(25(22)38)27(30)32-28(40)41-18-20-10-5-3-6-11-20/h3-8,10-13,22-23H,9,14-18H2,1-2H3,(H,31,37)(H,33,36)(H2,30,32,40)/t22-,23-,29+/m0/s1