Nl6-w12a

Structural Information

Molecular Formula

C₆₃H₁₀₃N₁₇O₁₄

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](CCCCN)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](C)C(=O)N)N)O

InChI

InChI=1S/C63H103N17O14/c1-33(2)27-45(57(89)72-37(8)53(85)70-32-50(83)74-43(20-16-26-69-63(67)68)55(87)71-36(7)52(66)84)77-56(88)44(19-14-15-25-64)75-58(90)46(28-34(3)4)78-59(91)47(29-35(5)6)79-61(93)49(30-40-17-12-11-13-18-40)80-60(92)48(31-41-21-23-42(82)24-22-41)76-54(86)38(9)73-62(94)51(65)39(10)81/h11-13,17-18,21-24,33-39,43-49,51,81-82H,14-16,19-20,25-32,64-65H2,1-10H3,(H2,66,84)(H,70,85)(H,71,87)(H,72,89)(H,73,94)(H,74,83)(H,75,90)(H,76,86)(H,77,88)(H,78,91)(H,79,93)(H,80,92)(H4,67,68,69)/t36-,37-,38-,39+,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1

InChIKey

IXKLJHGGCFVDQM-PPKVIOSESA-N

Compound name

(2S)-6-amino-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]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Related CIDs

• CID 11846631