NND25102301(709043-21-0)名称与标识符
名称
中文别名：
(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-氨基丁基)-19-[ [(2R)-2-[[2-[4,7-双(羧甲基)-1,4,7-三氮杂-1-亚基]乙酰基]氨基]-3-苯基丙酰基]氨基]-7-[(1R)-1-羟乙基]-16- [(4-羟基苯基)甲基]-13-(1H-吲哚-3-基甲基)-6,9,12,15,18-五氧代-1,2-二硫杂-5,8,11,14,17-五氮杂环辛烷-4-羰基]氨基]-3-羟基丁酸;
英文别名：
(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-[[2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid;
标识符
InChIKey：
FDLZDICIGDNHPK-JVCBUBMQSA-N
Inchi：
1S/C61H83N13O17S2/c1-35(75)52-60(89)69-48(59(88)71-53(36(2)76)61(90)91)34-93-92-33-47(68-55(84)44(26-37-10-4-3-5-11-37)64-49(78)30-72-20-22-73(31-50(79)80)24-25-74(23-21-72)32-51(81)82)58(87)66-45(27-38-15-17-40(77)18-16-38)56(85)67-46(28-39-29-63-42-13-7-6-12-41(39)42)57(86)65-43(54(83)70-52)14-8-9-19-62/h3-7,10-13,15-18,29,35-36,43-48,52-53,63,75-77H,8-9,14,19-28,30-34,62H2,1-2H3,(H,64,78)(H,65,86)(H,66,87)(H,67,85)(H,68,84)(H,69,89)(H,70,83)(H,71,88)(H,79,80)(H,81,82)(H,90,91)/t35-,36-,43+,44-,45+,46-,47+,48+,52+,53+/m1/s1
SMILES：
[H][C@]1([C@H](O)C)C(=O)N[C@H](C(N[C@H](C(=O)O)[C@H](O)C)=O)CSSC[C@H](NC([C@H](NC(CN2CCN(CC(=O)O)CCN(CC(=O)O)CC2)=O)CC2C=CC=CC=2)=O)C(=O)N[C@@H](CC2C=CC(O)=CC=2)C(=O)N[C@H](CC2C3C(=CC=CC=3)NC=2)C(=O)N[C@@H](CCCCN)C(=O)N1
