(2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S)-1-[[(2S,3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-naphthalen-1-yl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S)-1-[[(2S,3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-naphthalen-1-yl-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S)-1-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-oxo-hexadecanoyl]amino]-4-oxo-butanoyl]amino]-3-(1-naphthyl)propanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,16-dioxohexadecyl]amino]-1,4-dioxobutyl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S)-1-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-keto-hexadecanoyl]amino]-4-keto-butanoyl]amino]-3-(1-naphthyl)propionic acid Formula: C43H66N6O9 MolecularWeight: 811.01894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C(C(C)O)NC(=O)CCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)O)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C43H66N6O9/c1-4-28(2)38(40(45)54)49-42(56)39(29(3)50)48-37(53)25-16-14-12-10-8-6-5-7-9-11-13-15-24-36(52)46-33(27-35(44)51)41(55)47-34(43(57)58)26-31-22-19-21-30-20-17-18-23-32(30)31/h17-23,28-29,33-34,38-39,50H,4-16,24-27H2,1-3H3,(H2,44,51)(H2,45,54)(H,46,52)(H,47,55)(H,48,53)(H,49,56)(H,57,58)/t28-,29?,33-,34-,38-,39-/m0/s1