Chem
J-GLOBAL ID:200907011059921187
Nikkaji number:J489.958J
FaRP【Calinectes】
Gly-L-Tyr-L-Asn-L-Arg-L-Ser-L-Phe-L-Leu-L-Arg-L-Phe-NH2
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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:
C54 H79 N17 O12
Molecular formula furigana:
C54-H79-N17-O12
Molecular weight:
1158.333
InChI:
InChI=1S/C54H79N17O12/c1-30(2)23-38(48(79)65-35(15-9-21-62-53(58)59)46(77)67-37(45(57)76)24-31-11-5-3-6-12-31)68-50(81)40(25-32-13-7-4-8-14-32)69-52(83)42(29-72)71-47(78)36(16-10-22-63-54(60)61)66-51(82)41(27-43(56)74)70-49(80)39(64-44(75)28-55)26-33-17-19-34(73)20-18-33/h3-8,11-14,17-20,30,35-42,72-73H,9-10,15-16,21-29,55H2,1-2H3,(H2,56,74)(H2,57,76)(H,64,75)(H,65,79)(H,66,82)(H,67,77)(H,68,81)(H,69,83)(H,70,80)(H,71,78)(H4,58,59,62)(H4,60,61,63)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChI key:
QVEJRCWAGKICCX-BXXNOCLASA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name (3):
Gly-L-Tyr-L-Asn-L-Arg-L-Ser-L-Phe-L-Leu-L-Arg-L-Phe-NH2
(2S)-2-[(2S)-2-(2-アミノアセトアミド)-3-(4-ヒドロキシフェニル)プロパンアミド]-N-[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-カルバモイル-2-フェニルエチル]カルバモイル}ブチル]カルバモイル}-3-メチルブチル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}ブチル]ブタンジアミド
(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butyl]butanediamide
Other name (1):
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