(2S)-2-[[(2S)-4-azanyl-2-[[16-[[1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[16-[[1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-16-oxo-hexadecanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1,16-dioxohexadecyl]amino]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-2-keto-1,1-dimethyl-ethyl]amino]-16-keto-hexadecanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C42H62N6O8 MolecularWeight: 778.97708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C42H62N6O8/c1-42(2,41(56)47-32(38(44)52)27-30-21-15-13-16-22-30)48-37(51)26-20-12-10-8-6-4-3-5-7-9-11-19-25-36(50)45-33(29-35(43)49)39(53)46-34(40(54)55)28-31-23-17-14-18-24-31/h13-18,21-24,32-34H,3-12,19-20,25-29H2,1-2H3,(H2,43,49)(H2,44,52)(H,45,50)(H,46,53)(H,47,56)(H,48,51)(H,54,55)/t32-,33-,34-/m0/s1