Decapeptide 2

Structural Information

Molecular Formula

C₅₃H₈₆N₁₈O₁₉

SMILES

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

InChI

InChI=1S/C53H86N18O19/c1-25(2)41(71-49(87)35(24-40(78)79)68-45(83)30(9-4-5-19-54)65-43(81)29(55)8-6-20-61-52(57)58)50(88)69-34(22-27-11-13-28(72)14-12-27)48(86)67-33(16-18-39(76)77)47(85)66-32(15-17-38(74)75)44(82)63-26(3)42(80)64-31(10-7-21-62-53(59)60)46(84)70-36(51(89)90)23-37(56)73/h11-14,25-26,29-36,41,72H,4-10,15-24,54-55H2,1-3H3,(H2,56,73)(H,63,82)(H,64,80)(H,65,81)(H,66,85)(H,67,86)(H,68,83)(H,69,88)(H,70,84)(H,71,87)(H,74,75)(H,76,77)(H,78,79)(H,89,90)(H4,57,58,61)(H4,59,60,62)/t26-,29-,30-,31-,32-,33-,34-,35-,36-,41-/m0/s1

InChIKey

OSFKACNWYBVEBJ-IWZJHKITSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5479182