SIVMAC239-48

CAS号
CCD编号
CCD00416761
分子式
C69 H116 N20 O20 S3
分子量
1641.99

基本信息

产品名称: SIVMAC239-48
英文同义词: H-MET-LEU-ASN-CYS-VAL-GLY-ASP-HIS-GLN-ALA-ALA-MET-GLN-ILE-ILE-OH ; SIVMAC239-48 ; MLNCVGDHQAAMQII
MDL号: MFCD03790695
氢键受体数量: 40
氢键供体数量: 20
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)N
InChi: InChI=1S/C69H116N20O20S3/c1-14-34(7)54(68(107)89-55(69(108)109)35(8)15-2)88-61(100)42(17-19-50(72)92)81-60(99)43(21-23-112-13)80-57(96)38(11)77-56(95)37(10)78-59(98)41(16-18-49(71)91)82-64(103)46(26-39-28-74-31-76-39)84-63(102)45(25-36(9)90)79-52(94)29-75-67(106)53(33(5)6)87-66(105)48(30-110)86-65(104)47(27-51(73)93)85-62(101)44(24-32(3)4)83-58(97)40(70)20-22-111-12/h28,31-35,37-38,40-48,53-55,110H,14-27,29-30,70H2,1-13H3,(H2,71,91)(H2,72,92)(H2,73,93)(H,74,76)(H,75,106)(H,77,95)(H,78,98)(H,79,94)(H,80,96)(H,81,99)(H,82,103)(H,83,97)(H,84,102)(H,85,101)(H,86,104)(H,87,105)(H,88,100)(H,89,107)(H,108,109)/t34-,35-,37-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-,54-,55-/m0/s1
InChiKey: InChIKey=VQCPLMARTLUUOJ-UPEFFFGKSA-N

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