Chemical Compound

(4S)-4-({4-[(3S,6S,9S,15S,21S,24S,27S,33S)-21-(4-aminobutyl)-6-{2-[(2-carbamoylethyl)carbamoyl]ethyl}-27-{4-[(2S)-3-carboxy-2-acetamido-N-[(2S)-2-acetamido-3-hydroxypropanoyl]propanamido]butyl}-9-{4-[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]butyl}-24-methyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-3-yl]butyl}carbamoyl)-4-acetamidobutanoic acid

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(4S)-4-({4-[(3S,6S,9S,15S,21S,24S,27S,33S)-21-(4-aminobutyl)-6-{2-[(2-carbamoylethyl)carbamoyl]ethyl}-27-{4-[(2S)-3-carboxy-2-acetamido-N-[(2S)-2-acetamido-3-hydroxypropanoyl]propanamido]butyl}-9-{4-[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]butyl}-24-methyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-3-yl]butyl}carbamoyl)-4-acetamidobutanoic acid 结构式
Primary record

(4S)-4-({4-[(3S,6S,9S,15S,21S,24S,27S,33S)-21-(4-aminobutyl)-6-{2-[(2-carbamoylethyl)carbamoyl]ethyl}-27-{4-[(2S)-3-carboxy-2-acetamido-N-[(2S)-2-acetamido-3-hydroxypropanoyl]propanamido]butyl}-9-{4-[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]butyl}-24-methyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-3-yl]butyl}carbamoyl)-4-acetamidobutanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
100996910
SMILES
C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N1)CCCCN(C(=O)[C@H](CC(=O)O)NC(=O)C)C(=O)[C@H](CO)NC(=O)C)CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)C)CCC(=O)NCCC(=O)N)CCCCNC(=O)[C@H](CC4=CN=CN4)NC(=O)C)CCCCN
Canonical SMILES
CC(=O)N[C@@H](CCC(=O)O)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)NCCC(N)=O)NC(=O)[C@H](CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN(C(=O)[C@H](CO)NC(C)=O)C(=O)[C@H](CC(=O)O)NC(C)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O

名称与同义词

  • J1.223.986F
  • (4S)-4-({4-[(3S,6S,9S,15S,21S,24S,27S,33S)-21-(4-aminobutyl)-6-{2-[(2-carbamoylethyl)carbamoyl]ethyl}-27-{4-[(2S)-3-carboxy-2-acetamido-N-[(2S)-2-acetamido-3-hydroxypropanoyl]propanamido]butyl}-9-{4-[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]butyl}-24-methyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-3-yl]butyl}carbamoyl)-4-acetamidobutanoic acid
  • Cyclo(L-Pro-Gly-N6-(Ac-L-His-)-L-Lys-L-alphagammaGlu-(betaAla-NH2)-N6-(Ac-L-Glu-)-L-Lys-L-Pro-Gly-N6-(Ac-L-Asp-)-N6-(Ac-L-Ser-)-L-Lys-L-Ala-L-Lys-)
  • Cyclo[L-Pro-Gly-N6-(Ac-L-His-)-L-Lys-4-[(2-carbamoylethyl)carbamoyl]-L-Abu-N6-(Ac-L-Glu-)-L-Lys-L-Pro-Gly-N6-(Ac-L-Ser-)-N6-(Ac-L-Asp-)-L-Lys-L-Ala-L-Lys-]