Ac-(c34a-rantes 33 42)-nh2

Structural Information

Molecular Formula

C₅₀H₈₁N₁₃O₁₃

SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)C

InChI

InChI=1S/C50H81N13O13/c1-25(2)38(41(53)67)60-45(71)33(22-31-16-11-10-12-17-31)57-48(74)39(26(3)4)62-49(75)40(27(5)6)61-43(69)29(8)55-47(73)36-19-15-21-63(36)50(76)34(23-37(52)66)58-46(72)35(24-64)59-42(68)28(7)54-44(70)32(56-30(9)65)18-13-14-20-51/h10-12,16-17,25-29,32-36,38-40,64H,13-15,18-24,51H2,1-9H3,(H2,52,66)(H2,53,67)(H,54,70)(H,55,73)(H,56,65)(H,57,74)(H,58,72)(H,59,68)(H,60,71)(H,61,69)(H,62,75)/t28-,29-,32-,33-,34-,35-,36-,38-,39-,40-/m0/s1

InChIKey

JSZDZPZTNWNVBZ-OLSCNFGOSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 5495641