Ranatensin R
[CAS# 70572-93-9]

Identification

• Name: Ranatensin R
• Molecular Formula: C₉₀H₁₃₄N₃₀O₂₄S
• Molecular Weight: 2052.30
• CAS Registry Number: 70572-93-9
• SMILES: [C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(=O)N)CCSC)=O)CC1=CC=CC=C1)=O)CC2=C[NH]C=N2)=O)=O)[C@H](O)C)=O)C)=O)CC3=C[NH]C4=C3C=CC=C4)=O)CCC(=O)N)=O)CC(=O)N)=O)CC5=CC=C(C=C5)O)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CC(C)C)=O)C)=O)(NC([C@@H](NC([C@@H](N)CO)=O)CC(=O)N)=O)[C@H](O)C
• InChI: 1S/C90H134N30O24S/c1-43(2)31-60(113-74(130)44(3)107-88(144)72(47(6)123)120-86(142)66(37-69(94)127)114-76(132)54(91)41-121)81(137)111-57(19-13-28-101-89(96)97)77(133)110-58(20-14-29-102-90(98)99)78(134)115-62(33-49-21-23-52(124)24-22-49)83(139)118-65(36-68(93)126)85(141)112-59(25-26-67(92)125)79(135)117-63(34-50-38-103-55-18-12-11-17-53(50)55)80(136)106-45(4)75(131)119-71(46(5)122)87(143)104-40-70(128)108-64(35-51-39-100-42-105-51)84(140)116-61(32-48-15-9-8-10-16-48)82(138)109-56(73(95)129)27-30-145-7/h8-12,15-18,21-24,38-39,42-47,54,56-66,71-72,103,121-124H,13-14,19-20,25-37,40-41,91H2,1-7H3,(H2,92,125)(H2,93,126)(H2,94,127)(H2,95,129)(H,100,105)(H,104,143)(H,106,136)(H,107,144)(H,108,128)(H,109,138)(H,110,133)(H,111,137)(H,112,141)(H,113,130)(H,114,132)(H,115,134)(H,116,140)(H,117,135)(H,118,139)(H,119,131)(H,120,142)(H4,96,97,101)(H4,98,99,102)/t44-,45-,46+,47+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-/m0/s1
• InChIKey: JTDJTGMTSFEWAF-XCOGVABJSA-N