(2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-oxo-hexadecanoyl]amino]-4-oxo-butanoyl]amino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,16-dioxohexadecyl]amino]-1,4-dioxobutyl]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-keto-hexadecanoyl]amino]-4-keto-butanoyl]amino]-4-phenyl-butyric acid Formula: C49H75N7O10 MolecularWeight: 922.1607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(C(C)O)NC(=O)CCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)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](CCC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C49H75N7O10/c1-33(2)30-39(46(62)54-38(45(51)61)31-36-24-18-15-19-25-36)55-48(64)44(34(3)57)56-43(60)27-21-13-11-9-7-5-4-6-8-10-12-20-26-42(59)52-40(32-41(50)58)47(63)53-37(49(65)66)29-28-35-22-16-14-17-23-35/h14-19,22-25,33-34,37-40,44,57H,4-13,20-21,26-32H2,1-3H3,(H2,50,58)(H2,51,61)(H,52,59)(H,53,63)(H,54,62)(H,55,64)(H,56,60)(H,65,66)/t34-,37+,38+,39+,40+,44+/m1/s1