165174-59-4

Structural Information

Molecular Formula

C₅₀H₇₆N₁₆O₂₁S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N)N)O

InChI

InChI=1S/C50H76N16O21S/c1-22(69)38(52)48(86)65-32(21-88)46(84)61-27(16-35(71)72)43(81)62-29(18-37(75)76)49(87)66-14-6-10-33(66)47(85)58-24(9-5-13-56-50(54)55)40(78)59-26(15-23-7-3-2-4-8-23)42(80)57-25(11-12-34(51)70)41(79)60-28(17-36(73)74)44(82)64-31(20-68)45(83)63-30(19-67)39(53)77/h2-4,7-8,22,24-33,38,67-69,88H,5-6,9-21,52H2,1H3,(H2,51,70)(H2,53,77)(H,57,80)(H,58,85)(H,59,78)(H,60,79)(H,61,84)(H,62,81)(H,63,83)(H,64,82)(H,65,86)(H,71,72)(H,73,74)(H,75,76)(H4,54,55,56)/t22-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,38+/m1/s1

InChIKey

MBJPCZSFILEVBC-MIDHUSEISA-N

Compound name

(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 131698006