(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-[[(1S)-1-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-[[(1S)-1-[[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C38H54N8O11 MolecularWeight: 798.88236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H54N8O11/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-23-9-13-25(57-6)14-10-23)43-33(51)21(5)42-34(52)26(39)15-22-7-11-24(47)12-8-22/h7-14,19-21,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t21-,26+,27+,28+,31+,32+/m1/s1