Tcrvahrgltf

Structural Information

Molecular Formula

C₅₄H₈₉N₁₉O₁₄S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N)O

InChI

InChI=1S/C54H89N19O14S/c1-26(2)19-35(47(81)73-42(30(7)75)51(85)70-37(52(86)87)20-31-13-9-8-10-14-31)66-39(76)23-63-44(78)33(15-11-17-61-53(56)57)67-46(80)36(21-32-22-60-25-64-32)69-43(77)28(5)65-50(84)41(27(3)4)72-45(79)34(16-12-18-62-54(58)59)68-48(82)38(24-88)71-49(83)40(55)29(6)74/h8-10,13-14,22,25-30,33-38,40-42,74-75,88H,11-12,15-21,23-24,55H2,1-7H3,(H,60,64)(H,63,78)(H,65,84)(H,66,76)(H,67,80)(H,68,82)(H,69,77)(H,70,85)(H,71,83)(H,72,79)(H,73,81)(H,86,87)(H4,56,57,61)(H4,58,59,62)/t28-,29+,30+,33-,34-,35-,36-,37-,38-,40-,41-,42-/m0/s1

InChIKey

XWOJFYZFUCJWQU-OKKOXTOBSA-N

Compound name

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 71598136