Nl6-k7a

Structural Information

Molecular Formula

C₆₈H₁₀₁N₁₇O₁₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N)N)O

InChI

InChI=1S/C68H101N17O14/c1-35(2)27-50(62(94)76-38(7)58(90)75-34-55(88)79-48(21-16-26-73-68(71)72)61(93)80-49(57(70)89)32-44-33-74-47-20-15-14-19-46(44)47)81-59(91)39(8)77-63(95)51(28-36(3)4)83-64(96)52(29-37(5)6)84-66(98)54(30-42-17-12-11-13-18-42)85-65(97)53(31-43-22-24-45(87)25-23-43)82-60(92)40(9)78-67(99)56(69)41(10)86/h11-15,17-20,22-25,33,35-41,48-54,56,74,86-87H,16,21,26-32,34,69H2,1-10H3,(H2,70,89)(H,75,90)(H,76,94)(H,77,95)(H,78,99)(H,79,88)(H,80,93)(H,81,91)(H,82,92)(H,83,96)(H,84,98)(H,85,97)(H4,71,72,73)/t38-,39-,40-,41+,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1

InChIKey

AEBDTXYNZJFBTQ-OYZRLRPPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-4-methylpentanamide

Related CIDs

• CID 25081105