Chem
J-GLOBAL ID:200907058633006596
Nikkaji number:J1.686.650D
(3S)-N-[(2R)-2-Hydroxypropyl]-3-[[(2S)-2-(benzyloxycarbonylaminomethyl)-3-(1H-indole-3-yl)propionyl]amino]-7-aminoheptanamide
(3S)-N-[(2R)-2-ヒドロキシプロピル]-3-[[(2S)-2-(ベンジルオキシカルボニルアミノメチル)-3-(1H-インドール-3-イル)プロピオニル]アミノ]-7-アミノヘプタンアミド
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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:
C30 H41 N5 O5
Molecular formula furigana:
C30-H41-N5-O5
Molecular weight:
551.688
InChI:
InChI=1S/C30H41N5O5/c1-21(36)17-33-28(37)16-25(11-7-8-14-31)35-29(38)24(15-23-18-32-27-13-6-5-12-26(23)27)19-34-30(39)40-20-22-9-3-2-4-10-22/h2-6,9-10,12-13,18,21,24-25,32,36H,7-8,11,14-17,19-20,31H2,1H3,(H,33,37)(H,34,39)(H,35,38)/t21-,24+,25+/m1/s1
InChI key:
SBVZUUROZBYUIQ-ZODMCCGTSA-N
SMILES:
C[C@@H](O)CNC(=O)C[C@H](CCCCN)NC(=O)[C@H](CNC(=O)OCc1ccccc1)Cc1c[nH]c2ccccc12
Systematic name (3):
(3S)-N-[(2R)-2-ヒドロキシプロピル]-3-[[(2S)-2-(ベンジルオキシカルボニルアミノメチル)-3-(1H-インドール-3-イル)プロピオニル]アミノ]-7-アミノヘプタンアミド
ベンジル N-[(2S)-2-{[(2S)-6-アミノ-1-{[(2R)-2-ヒドロキシプロピル]カルバモイル}ヘキサン-2-イル]カルバモイル}-2-[(1H-インドール-3-イル)メチル]エチル]カルバマート
benzyl N-[(2S)-2-{[(2S)-6-amino-1-{[(2R)-2-hydroxypropyl]carbamoyl}hexan-2-yl]carbamoyl}-2-[(1H-indol-3-yl)methyl]ethyl]carbamate
Other name (1):
(3S)-N-[(2R)-2-Hydroxypropyl]-3-[[(2S)-2-(benzyloxycarbonylaminomethyl)-3-(1H-indole-3-yl)propionyl]amino]-7-aminoheptanamide
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