(phenylmethyl) N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[[7-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]-6-oxidanyl-undecan-5-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[[7-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]-6-oxidanyl-undecan-5-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-1-[[3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-1-butyl-2-hydroxy-heptyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[6-hydroxy-7-[[(2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxobutyl]amino]undecan-5-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[[6-hydroxy-7-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]undecan-5-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-[[3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-1-butyl-2-hydroxy-heptyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C47H74N6O9 MolecularWeight: 867.12526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(CCCC)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(C(CCCC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C47H74N6O9/c1-11-13-25-35(48-42(55)37(29(3)4)50-44(57)39(31(7)8)52-46(59)61-27-33-21-17-15-18-22-33)41(54)36(26-14-12-2)49-43(56)38(30(5)6)51-45(58)40(32(9)10)53-47(60)62-28-34-23-19-16-20-24-34/h15-24,29-32,35-41,54H,11-14,25-28H2,1-10H3,(H,48,55)(H,49,56)(H,50,57)(H,51,58)(H,52,59)(H,53,60)/t35?,36?,37-,38-,39-,40-,41?/m0/s1