Ac-(rantes 37 46)-nh2

Structural Information

Molecular Formula

C₅₄H₉₀N₁₆O₁₃

SMILES

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

InChI

InChI=1S/C54H90N16O13/c1-27(2)40(68-51(81)41(28(3)4)66-45(75)30(7)61-49(79)38-21-16-24-70(38)32(9)72)50(80)65-37(25-33-17-11-10-12-18-33)48(78)67-42(29(5)6)52(82)69-43(31(8)71)53(83)63-35(20-15-23-60-54(58)59)46(76)62-34(19-13-14-22-55)47(77)64-36(44(57)74)26-39(56)73/h10-12,17-18,27-31,34-38,40-43,71H,13-16,19-26,55H2,1-9H3,(H2,56,73)(H2,57,74)(H,61,79)(H,62,76)(H,63,83)(H,64,77)(H,65,80)(H,66,75)(H,67,78)(H,68,81)(H,69,82)(H4,58,59,60)/t30-,31+,34-,35-,36-,37-,38-,40-,41-,42-,43-/m0/s1

InChIKey

XSWKRSABEBUFIY-BGAKPTBYSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]butanediamide

Related CIDs

• CID 505362