(2S)-2-[[(2S)-1-[[3-[[(2S)-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(Z)-[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[[3-[[(2S)-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(Z)-[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(1S)-2-[[2-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(Z)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-ylidene]methyl]carbamoyl]propyl]amino]-1-methyl-2-oxo-ethyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[[(2S)-1-[[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)-1-oxopropyl]-methylamino]-1-[[(Z)-[5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(1S)-2-[[2-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(Z)-[5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-ylidene]methyl]carbamoyl]propyl]amino]-2-keto-1-methyl-ethyl]carbamoylamino]-3-phenyl-propionic acid Formula: C36H44N8O11 MolecularWeight: 764.78156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC=C1CC(C(O1)N2C=CC(=O)NC2=O)O)NC(=O)C(C)NC(=O)NC(CC3=CC=CC=C3)C(=O)O)N(C)C(=O)C(CC4=CC(=CC=C4)O)N

Isomeric SMILES

C[C@@H](C(=O)NC(C(C)N(C)C(=O)[C@H](CC1=CC(=CC=C1)O)N)C(=O)N/C=C\2/CC(C(O2)N3C=CC(=O)NC3=O)O)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C36H44N8O11/c1-19(39-35(53)40-26(34(51)52)16-21-8-5-4-6-9-21)30(48)42-29(20(2)43(3)32(50)25(37)15-22-10-7-11-23(45)14-22)31(49)38-18-24-17-27(46)33(55-24)44-13-12-28(47)41-36(44)54/h4-14,18-20,25-27,29,33,45-46H,15-17,37H2,1-3H3,(H,38,49)(H,42,48)(H,51,52)(H2,39,40,53)(H,41,47,54)/b24-18-/t19-,20?,25-,26-,27?,29?,33?/m0/s1