Ac-(rantes 53 62)-nh2

Structural Information

Molecular Formula

C₆₆H₁₀₁N₁₇O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)C

InChI

InChI=1S/C66H101N17O16/c1-6-37(4)55(56(69)90)82-62(96)49(33-39-21-23-41(85)24-22-39)79-61(95)47(25-27-52(86)87)76-58(92)46(19-13-31-72-66(70)71)78-65(99)54(36(2)3)81-63(97)50(34-40-35-73-43-16-8-7-15-42(40)43)80-59(93)45(18-10-12-30-68)74-57(91)44(17-9-11-29-67)75-60(94)48(26-28-53(88)89)77-64(98)51-20-14-32-83(51)38(5)84/h7-8,15-16,21-24,35-37,44-51,54-55,73,85H,6,9-14,17-20,25-34,67-68H2,1-5H3,(H2,69,90)(H,74,91)(H,75,94)(H,76,92)(H,77,98)(H,78,99)(H,79,95)(H,80,93)(H,81,97)(H,82,96)(H,86,87)(H,88,89)(H4,70,71,72)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-/m0/s1

InChIKey

KCKTZZFAVPWVRB-RGMKYYKLSA-N

Compound name

(4S)-4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 505366