(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanamide

Structural Information

Molecular Formula

C₆₄H₁₁₉N₂₃O₁₁

SMILES

CC(C)[C@@H](CC(=O)N[C@@H](C(C)C)NC(=O)N[C@@H](CCCN=C(N)N)CC(=O)N)NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](C(C)C)NC(=O)C[C@H](C(C)C)NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](C(C)C)NC(=O)C[C@H](C(C)C)NC(=O)C[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C64H119N23O11/c1-34(2)46(79-50(90)27-41(65)26-40-19-21-45(88)22-20-40)31-53(93)82-57(38(9)10)86-63(97)77-43(17-14-24-74-60(69)70)29-52(92)81-48(36(5)6)33-55(95)84-58(39(11)12)87-64(98)78-44(18-15-25-75-61(71)72)30-51(91)80-47(35(3)4)32-54(94)83-56(37(7)8)85-62(96)76-42(28-49(66)89)16-13-23-73-59(67)68/h19-22,34-39,41-44,46-48,56-58,88H,13-18,23-33,65H2,1-12H3,(H2,66,89)(H,79,90)(H,80,91)(H,81,92)(H,82,93)(H,83,94)(H,84,95)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)(H2,76,85,96)(H2,77,86,97)(H2,78,87,98)/t41-,42-,43-,44-,46+,47+,48+,56+,57+,58+/m0/s1

InChIKey

KMIORKCGVHAAAA-LAAUBEOISA-N

Compound name

(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanamide

Related CIDs

• CID 129905155