Nl9-3

Structural Information

Molecular Formula

C₅₅H₈₁N₁₅O₁₄S

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CS)NC(=O)[C@H](C)N

InChI

InChI=1S/C55H81N15O14S/c1-5-29(2)46(70-44(73)27-61-49(78)31(4)63-43(72)26-62-50(79)40(24-33-25-60-35-16-10-9-15-34(33)35)68-54(83)41(28-85)69-48(77)30(3)57)55(84)66-36(17-11-12-22-56)51(80)64-37(18-20-42(58)71)52(81)65-38(19-21-45(74)75)53(82)67-39(47(59)76)23-32-13-7-6-8-14-32/h6-10,13-16,25,29-31,36-41,46,60,85H,5,11-12,17-24,26-28,56-57H2,1-4H3,(H2,58,71)(H2,59,76)(H,61,78)(H,62,79)(H,63,72)(H,64,80)(H,65,81)(H,66,84)(H,67,82)(H,68,83)(H,69,77)(H,70,73)(H,74,75)/t29?,30-,31-,36-,37-,38-,39-,40-,41-,46-/m0/s1

InChIKey

VYKFLYRHGJSISQ-QGLNFFPKSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16074153