Nl9-k8a

Structural Information

Molecular Formula

C₆₁H₈₁N₁₅O₁₄S

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C)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)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)NC(=O)[C@H](C)N

InChI

InChI=1S/C61H81N15O14S/c1-6-31(2)51(61(90)69-34(5)55(84)70-42(20-22-48(63)77)56(85)71-43(21-23-50(79)80)57(86)72-44(52(64)81)24-35-14-8-7-9-15-35)76-49(78)29-67-54(83)33(4)68-58(87)45(25-36-27-65-40-18-12-10-16-38(36)40)73-59(88)46(26-37-28-66-41-19-13-11-17-39(37)41)74-60(89)47(30-91)75-53(82)32(3)62/h7-19,27-28,31-34,42-47,51,65-66,91H,6,20-26,29-30,62H2,1-5H3,(H2,63,77)(H2,64,81)(H,67,83)(H,68,87)(H,69,90)(H,70,84)(H,71,85)(H,72,86)(H,73,88)(H,74,89)(H,75,82)(H,76,78)(H,79,80)/t31?,32-,33-,34-,42-,43-,44-,45-,46-,47-,51-/m0/s1

InChIKey

UMRFKNDJXQVPIC-LKUMNHSDSA-N

Compound name

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

Related CIDs

• CID 16186548