(phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-2-cyclohexyl-acetyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-2-cyclohexyl-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-2-cyclohexyl-acetyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C29H45N5O7 MolecularWeight: 575.6969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C2CCCCC2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C2CCCCC2)N

InChI

InChI=1S/C29H45N5O7/c1-18(2)15-22(29(40)41-17-19-9-5-3-6-10-19)33-27(38)23(16-35)34-26(37)21(13-14-24(30)36)32-28(39)25(31)20-11-7-4-8-12-20/h3,5-6,9-10,18,20-23,25,35H,4,7-8,11-17,31H2,1-2H3,(H2,30,36)(H,32,39)(H,33,38)(H,34,37)/t21-,22-,23-,25-/m0/s1