Ac-(c10a, c11a-rantes 9 18)-nh2

Structural Information

Molecular Formula

C₅₄H₈₀N₁₄O₁₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)C

InChI

InChI=1S/C54H80N14O12/c1-8-29(2)43(52(79)62-33(6)46(73)63-38(17-12-24-58-54(56)57)53(80)68-26-13-18-41(68)44(55)71)66-50(77)40(28-36-20-22-37(70)23-21-36)65-48(75)32(5)60-49(76)39(27-35-15-10-9-11-16-35)64-47(74)31(4)59-45(72)30(3)61-51(78)42-19-14-25-67(42)34(7)69/h9-11,15-16,20-23,29-33,38-43,70H,8,12-14,17-19,24-28H2,1-7H3,(H2,55,71)(H,59,72)(H,60,76)(H,61,78)(H,62,79)(H,63,73)(H,64,74)(H,65,75)(H,66,77)(H4,56,57,58)/t29-,30-,31-,32-,33-,38-,39-,40-,41-,42-,43-/m0/s1

InChIKey

WVLRCKJCNSBDSP-KFJGISHESA-N

Compound name

(2S)-1-acetyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 5495638