FCMD
全球食品接触材料法规数据库
阿巴瑞克
Abarelix
醋酸阿巴瑞克, Carbamic acid,acetyldithio-,methyl ester, Abarelix, Carbamodithioic acid,acetyl-,methyl ester, Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nα-Me-Tyr]-D-Asn-Leu-ILys-Pro-DAla-NH2, acetyl-dithiocarbamic acid methyl ester, Abarelix Acetate, N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide, (2R)-N-[(2S)-1-{[(2S)-1-[(2S)-2-{[(2R)-1-Amino-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-6-(isopropylamino)-1-oxohexan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-2-{[(2S,5S,8R,11R,14R)-11-(4-chlorobenzyl)-2-(4-hydroxybenzyl)-5-(hydroxymethyl)-3-methyl-14-(2-naphthylmethyl)-4,7,10,13,16-pentaoxo-8-(pyridin-3-ylmethyl)-3,6,9,12,15-pentaazaheptadecan-1-oyl]amino}succinamide (non-preferred name), Acetyl-dithiocarbamidsaeure-methylester, (2R)-N-[(2S)-1-{[(2S)-1-[(2S)-2-{[(2R)-1-Amino-1-oxo-2-propanyl]carbamoyl}-1-pyrrolidinyl]-6-(isopropylamino)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl]-2-{[(2S,5S,8R,11R,14R)-11-(4-chlorobe nzyl)-2-(4-hydroxybenzyl)-5-(hydroxymethyl)-3-methyl-14-(2-naphthylmethyl)-4,7,10,13,16-pentaoxo-8-(3-pyridinylmethyl)-3,6,9,12,15-pentaazaheptadecan-1-oyl]amino}succinamide
CAS号: 183552-38-7
IUPAC名称: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
分子式: C72H95ClN14O14
分子量: 1416.063
InChI: InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1
InChIKey: AIWRTTMUVOZGPW-HSPKUQOVSA-N
SMILES: C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C
EINECS: -
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