Chem
J-GLOBAL ID：200907002171702260   Nikkaji number：J1.459.870G

Nα-[2-(Acetylamino)-3-[2,2′-dihydroxy-5′-[2-(benzyloxycarbonylamino)-3-oxo-3-hydroxypropyl]-3-biphenylyl]propanoyl]-L-Arg-Gly-L-Asp-L-Val-OH

Nα-[2-(アセチルアミノ)-3-[2,2′-ジヒドロキシ-5′-[2-(ベンジルオキシカルボニルアミノ)-3-オキソ-3-ヒドロキシプロピル]-3-ビフェニリル]プロパノイル]-L-Arg-Gly-L-Asp-L-Val-OH
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C45H57N9O15
Molecular formula furigana： C45-H57-N9-O15
Molecular weight： 963.999
InChI： InChI=1S/C45H57N9O15/c1-23(2)37(43(66)67)54-41(63)32(20-36(58)59)51-35(57)21-49-39(61)30(13-8-16-48-44(46)47)52-40(62)31(50-24(3)55)19-27-11-7-12-28(38(27)60)29-17-26(14-15-34(29)56)18-33(42(64)65)53-45(68)69-22-25-9-5-4-6-10-25/h4-7,9-12,14-15,17,23,30-33,37,56,60H,8,13,16,18-22H2,1-3H3,(H,49,61)(H,50,55)(H,51,57)(H,52,62)(H,53,68)(H,54,63)(H,58,59)(H,64,65)(H,66,67)(H4,46,47,48)/t30-,31?,32-,33?,37-/m0/s1
InChI key： LWNSKKVMDPGMQA-IRCNOXHSSA-N
SMILES： CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(Cc1cccc(c1O)c1cc(CC(NC(=O)OCc2ccccc2)C(=O)O)ccc1O)NC(=O)C)C(=O)O
Systematic name  (3)：
  • Nα-[2-(アセチルアミノ)-3-[2,2′-ジヒドロキシ-5′-[2-(ベンジルオキシカルボニルアミノ)-3-オキソ-3-ヒドロキシプロピル]-3-ビフェニリル]プロパノイル]-L-Arg-Gly-L-Asp-L-Val-OH
  • (2S)-2-[(2S)-2-{2-[(2S)-2-{3-[5'-(2-{[(ベンジルオキシ)カルボニル]アミノ}-2-カルボキシエチル)-2,2'-ジヒドロキシ-[1,1'-ビフェニル]-3-イル]-2-アセトアミドプロパンアミド}-5-カルバムイミドアミドペンタンアミド]アセトアミド}-3-カルボキシプロパンアミド]-3-メチルブタン酸
  • (2S)-2-[(2S)-2-{2-[(2S)-2-{3-[5'-(2-{[(benzyloxy)carbonyl]amino}-2-carboxyethyl)-2,2'-dihydroxy-[1,1'-biphenyl]-3-yl]-2-acetamidopropanamido}-5-carbamimidamidopentanamido]acetamido}-3-carboxypropanamido]-3-methylbutanoic acid
Other name (1)：
  • Nα-[2-(Acetylamino)-3-[2,2′-dihydroxy-5′-[2-(benzyloxycarbonylamino)-3-oxo-3-hydroxypropyl]-3-biphenylyl]propanoyl]-L-Arg-Gly-L-Asp-L-Val-OH
Thsaurus map：
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