催產素(24346-32-5)名称与标识符
名称
中文别名:
催產素;1-{[(4R,7S,10S,13S,16S,19R)-19-氨基-7-(2-氨基-2-氧代乙基)-10-(3-氨基-3-氧代丙基)-13-仲-丁基-16-(4-羟基苄基)-6,9,12,15,18-五氧代-1,2-二硫杂-5,8,11,14,17-五氮杂环二十烷-4-基]羰基}-L-脯氨酰-L-亮氨酰甘氨;四(正戊硫代)四硫富瓦烯[有机电子材料];
英文别名:
Oxytocin;H-CYS-TYR-ILE-GLN-ASN-CYS-PRO-LEU-GLY-OH;OXYTOCIN (FREE ACID);CYS-TYR-ILE-GLN-ASN-CYS-PRO-LEU-GLY;Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Leu-Gly-NH2 (Disulfide bridge Cys1-Cys6);H-c[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-Leu-Gly-OH;H-Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Leu-Gly-OH,(Disulfide bond);REF DUPL: H-c[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-Leu-Gly-OH;24346-32-5;2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetic acid;HY-P3216;[(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]acetic acid;G77862;CS-0169706;Oxytocin free acid;
标识符
InChIKey:
NFBCSRNZYJJWNB-DSZYJQQASA-N
Inchi:
1S/C43H65N11O13S2/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-69-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
SMILES:
S1C[C@@H](C(N2CCC[C@H]2C(N[C@H](C(NCC(=O)O)=O)CC(C)C)=O)=O)NC([C@H](CC(N)=O)NC([C@H](CCC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CC2C=CC(=CC=2)O)NC([C@H](CS1)N)=O)=O)=O)=O)=O