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

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-phenyl-propyl]amino]-16-oxo-hexadecanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-1,16-dioxohexadecyl]amino]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-phenyl-propyl]amino]-16-keto-hexadecanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C48H66N6O8 MolecularWeight: 855.07304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C48H66N6O8/c49-42(55)34-40(47(60)54-41(48(61)62)33-37-26-18-13-19-27-37)52-44(57)29-21-10-8-6-4-2-1-3-5-7-9-20-28-43(56)51-38(31-30-35-22-14-11-15-23-35)46(59)53-39(45(50)58)32-36-24-16-12-17-25-36/h11-19,22-27,38-41H,1-10,20-21,28-34H2,(H2,49,55)(H2,50,58)(H,51,56)(H,52,57)(H,53,59)(H,54,60)(H,61,62)/t38-,39-,40-,41-/m0/s1