Ac-(rantes 21 30)-nh2

Structural Information

Molecular Formula

C₆₅H₉₃N₁₇O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C65H93N17O16/c1-6-35(2)53(81-63(97)51(32-42-33-70-34-72-42)77-56(90)36(3)73-57(91)45(74-38(5)84)16-12-28-71-65(68)69)64(98)76-46(15-10-11-27-66)58(92)75-47(25-26-52(87)88)59(93)78-49(30-40-17-21-43(85)22-18-40)61(95)79-48(29-39-13-8-7-9-14-39)60(94)80-50(31-41-19-23-44(86)24-20-41)62(96)82-54(37(4)83)55(67)89/h7-9,13-14,17-24,33-37,45-51,53-54,83,85-86H,6,10-12,15-16,25-32,66H2,1-5H3,(H2,67,89)(H,70,72)(H,73,91)(H,74,84)(H,75,92)(H,76,98)(H,77,90)(H,78,93)(H,79,95)(H,80,94)(H,81,97)(H,82,96)(H,87,88)(H4,68,69,71)/t35-,36-,37+,45-,46-,47-,48-,49-,50-,51-,53-,54-/m0/s1

InChIKey

RZRFMVUUQJIHES-DZYKCQBUSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-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 25080893