(2S)-N-[(8S,8aR)-3-azanyl-8a-oxidanyl-1-oxidanylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-[(1S,4R,9aR)-1-[(4-hydroxyphenyl)methyl]-3,8-bis(oxidanylidene)-4-(phenylmethyl)-1,2,4,6,9,9a-hexahydropyrazino[1,2-c]pyrimidin-7-yl]-2-formamido-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(8S,8aR)-3-azanyl-8a-oxidanyl-1-oxidanylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-[(1S,4R,9aR)-1-[(4-hydroxyphenyl)methyl]-3,8-bis(oxidanylidene)-4-(phenylmethyl)-1,2,4,6,9,9a-hexahydropyrazino[1,2-c]pyrimidin-7-yl]-2-formamido-propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(8S,8aR)-3-amino-8a-hydroxy-1-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-[(1S,4R,9aR)-4-benzyl-1-[(4-hydroxyphenyl)methyl]-3,8-dioxo-1,2,4,6,9,9a-hexahydropyrazino[1,2-c]pyrimidin-7-yl]-2-formamido-propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(8S,8aR)-3-amino-8a-hydroxy-1-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-[(1S,4R,9aR)-1-[(4-hydroxyphenyl)methyl]-3,8-dioxo-4-(phenylmethyl)-1,2,4,6,9,9a-hexahydropyrazino[1,2-c]pyrimidin-7-yl]-2-formamido-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(8S,8aR)-3-amino-8a-hydroxy-1-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-[(1S,4R,9aR)-4-benzyl-1-[(4-hydroxyphenyl)methyl]-3,8-dioxo-1,2,4,6,9,9a-hexahydropyrazino[1,2-c]pyrimidin-7-yl]-2-formamidopropanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(8S,8aR)-3-amino-8a-hydroxy-1-keto-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-[(1S,4R,9aR)-4-benzyl-1-(4-hydroxybenzyl)-3,8-diketo-1,2,4,6,9,9a-hexahydropyrazino[1,2-c]pyrimidin-7-yl]-2-formamido-propanoyl]pyrrolidine-2-carboxamide Formula: C37H45N9O8 MolecularWeight: 743.8087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CN2CN3C(CC2=O)C(NC(=O)C3CC4=CC=CC=C4)CC5=CC=C(C=C5)O)NC=O)C(=O)NC6CCCN7C6(C(=O)N=C7N)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CN2CN3[C@H](CC2=O)[C@@H](NC(=O)[C@H]3CC4=CC=CC=C4)CC5=CC=C(C=C5)O)NC=O)C(=O)N[C@H]6CCCN7[C@@]6(C(=O)N=C7N)O

InChI

InChI=1S/C37H45N9O8/c38-36-42-35(53)37(54)30(9-5-15-46(36)37)41-32(50)27-8-4-14-44(27)34(52)26(39-20-47)19-43-21-45-28(18-31(43)49)25(16-23-10-12-24(48)13-11-23)40-33(51)29(45)17-22-6-2-1-3-7-22/h1-3,6-7,10-13,20,25-30,48,54H,4-5,8-9,14-19,21H2,(H,39,47)(H,40,51)(H,41,50)(H2,38,42,53)/t25-,26-,27-,28+,29+,30-,37+/m0/s1