(2S)-2-[[(2R)-2-[[(3S,4S)-3-[(2R)-2-azanyl-3-phenyl-propanoyl]oxy-4-methyl-heptanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(3S,4S)-3-[(2R)-2-azanyl-3-phenyl-propanoyl]oxy-4-methyl-heptanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(3S,4S)-3-[(2R)-2-amino-3-phenyl-propanoyl]oxy-4-methyl-heptanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(3S,4S)-3-[(2R)-2-amino-1-oxo-3-phenylpropoxy]-4-methyl-1-oxoheptyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(3S,4S)-3-[(2R)-2-amino-3-phenylpropanoyl]oxy-4-methylheptanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(3S,4S)-3-[(2R)-2-amino-3-phenyl-propanoyl]oxy-4-methyl-heptanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propionic acid Formula: C29H39N3O7 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)O)OC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCC[C@H](C)[C@H](CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)O)OC(=O)[C@@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C29H39N3O7/c1-3-10-19(2)25(39-29(38)22(30)15-20-11-6-4-7-12-20)17-26(34)31-23(16-21-13-8-5-9-14-21)27(35)32-24(18-33)28(36)37/h4-9,11-14,19,22-25,33H,3,10,15-18,30H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)/t19-,22+,23+,24-,25-/m0/s1