Ac-(c34a-rantes 25 34)-nh2

Structural Information

Molecular Formula

C₅₈H₈₃N₁₃O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C)O

InChI

InChI=1S/C58H83N13O17/c1-32(50(61)80)63-52(82)41(14-8-10-26-60)65-47(77)30-62-51(81)46(31-72)70-58(88)49(33(2)73)71-57(87)45(29-37-17-21-39(76)22-18-37)69-55(85)43(27-35-11-5-4-6-12-35)68-56(86)44(28-36-15-19-38(75)20-16-36)67-54(84)42(23-24-48(78)79)66-53(83)40(64-34(3)74)13-7-9-25-59/h4-6,11-12,15-22,32-33,40-46,49,72-73,75-76H,7-10,13-14,23-31,59-60H2,1-3H3,(H2,61,80)(H,62,81)(H,63,82)(H,64,74)(H,65,77)(H,66,83)(H,67,84)(H,68,86)(H,69,85)(H,70,88)(H,71,87)(H,78,79)/t32-,33+,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1

InChIKey

COGUIWGQNFQXJZ-CJTSGTTGSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 505359