N-[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[(1R)-2-[[(1S)-2-[[2-[[(1S)-2-[(2S)-2-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[(1R)-2-[[(1S)-2-[[2-[[(1S)-2-[(2S)-2-[[(1S)-2-amino-2-keto-1-methylol-ethyl]carbamoyl]pyrrolidino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C41H50N8O10 MolecularWeight: 814.8833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CO)C(=O)N)NC(=O)C4CC5=C(CN4)C=CC(=C5)O

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N)NC(=O)C4CC5=C(CN4)C=CC(=C5)O

InChI

InChI=1S/C41H50N8O10/c1-23(45-39(57)30-19-27-18-29(52)14-11-26(27)20-43-30)37(55)47-31(16-24-6-3-2-4-7-24)38(56)44-21-35(53)46-32(17-25-9-12-28(51)13-10-25)41(59)49-15-5-8-34(49)40(58)48-33(22-50)36(42)54/h2-4,6-7,9-14,18,23,30-34,43,50-52H,5,8,15-17,19-22H2,1H3,(H2,42,54)(H,44,56)(H,45,57)(H,46,53)(H,47,55)(H,48,58)/t23-,30?,31+,32+,33+,34+/m1/s1